1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone

C15H19NO — CID 82494938

IUPAC1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C15H19NO/c1-9(2)12-6-7-14-13(8-12)15(11(4)17)10(3)16(14)5/h6-9H,1-5H3
InChIKeyABBRDRSPRQWLRO-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.81
Rot. Bonds2

About 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone

1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone (PubChem CID 82494938) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
PubChem CID82494938
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C15H19NO/c1-9(2)12-6-7-14-13(8-12)15(11(4)17)10(3)16(14)5/h6-9H,1-5H3
InChIKeyABBRDRSPRQWLRO-UHFFFAOYSA-N
XLogP3.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,2,5-trimethylpyrrol-3-yl]ethanone
CID 177460818
(1,2-dimethyl-3-propan-2-ylindol-5-yl)methanediol
CID 166734633
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629
5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine
CID 84743031
(3-carbonochloridoyl-1,2-dimethylindol-5-yl) acetate
CID 86672895
3-methyl-5-propan-2-ylindazole-1-carboxylic acid
CID 90786084
1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
CID 46891659
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96679061
3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid
CID 83947302
3-methyl-1,5-di(propan-2-yl)indole
CID 176559687
ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate
CID 99990884

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone?
The IUPAC name of 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone (CID 82494938) is 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone?
The canonical SMILES for 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone is CC(=O)c1c(C)n(C)c2ccc(C(C)C)cc12.
What is the InChIKey of 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone?
The InChIKey is ABBRDRSPRQWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-9(2)12-6-7-14-13(8-12)15(11(4)17)10(3)16(14)5/h6-9H,1-5H3.
What are the key properties of 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone?
1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone is sourced from PubChem (CID 82494938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).